[4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Openeye Name: [4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c1-15-5-2-3-8-20(15)22(27)30-19-11-9-16(10-12-19)14-23-24-21(26)17-6-4-7-18(13-17)25(28)29/h2-14H,1H3,(H,24,26)/b23-14+